ethyl 3,4-dimethyl-6-[3-[(2-phenylcyclopropyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3,4-dimethyl-6-[3-[(2-phenylcyclopropyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3,4-dimethyl-6-[3-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[3-[[oxo-(2-phenylcyclopropyl)methyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3,4-dimethyl-6-[3-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[3-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H27N3O3S MolecularWeight: 449.56518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)NC(=O)C3CC3C4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)NC(=O)C3CC3C4=CC=CC=C4)C)C

InChI

InChI=1S/C25H27N3O3S/c1-4-31-24(30)21-15(2)28(3)25(32)27-22(21)17-11-8-12-18(13-17)26-23(29)20-14-19(20)16-9-6-5-7-10-16/h5-13,19-20,22H,4,14H2,1-3H3,(H,26,29)(H,27,32)